Journal of Research of the National Bureau of Standards
AbstractA theoretical relationship is developed to provide a quantitative definition of hydrophobicity using established theoretical and semi-empirical relationships. A method of predicting partition coefficients of relatively water-insoluble third components between water and an immiscible second component is devised and tested. Comparison with experimental data for four classes of compounds in the water/n-octanol system at 25� C shows excellent agreement, indicating that values for substances for which direct determination is experimentally precluded can be calculated with confidence.
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